Home Other Building Blocks 4,4,4-trifluoro-3-methylbutan-1-ol

4,4,4-trifluoro-3-methylbutan-1-ol

CAS No.:
339-62-8
Catalog Number:
AG01BO7K
Molecular Formula:
C5H9F3O
Molecular Weight:
142.1196
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Product Description
Catalog Number:
AG01BO7K
Chemical Name:
4,4,4-trifluoro-3-methylbutan-1-ol
CAS Number:
339-62-8
Molecular Formula:
C5H9F3O
Molecular Weight:
142.1196
MDL Number:
MFCD28361062
IUPAC Name:
4,4,4-trifluoro-3-methylbutan-1-ol
InChI:
InChI=1S/C5H9F3O/c1-4(2-3-9)5(6,7)8/h4,9H,2-3H2,1H3
InChI Key:
JHKAMWUCXKBJBI-UHFFFAOYSA-N
SMILES:
OCCC(C(F)(F)F)C
NSC Number:
120381
Properties
Complexity:
78.8  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.061g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
142.121g/mol
Monoisotopic Mass:
142.061g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties